9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H29N5O2 — CID 72837358

IUPAC9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(CC4CCCO4)C3)CC2)nc(N)n1
InChIInChI=1S/C19H29N5O2/c1-14-11-16(22-18(20)21-14)23-8-6-19(7-9-23)5-4-17(25)24(13-19)12-15-3-2-10-26-15/h11,15H,2-10,12-13H2,1H3,(H2,20,21,22)
InChIKeyMMEWVEYBORNZRW-UHFFFAOYSA-N
MW359.47 g/mol
LogP1.76
Rot. Bonds3

About 9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72837358) has the molecular formula C19H29N5O2 and a molecular weight of 359.47 g/mol. Its IUPAC name is 9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72837358
Molecular FormulaC19H29N5O2
Molecular Weight359.47 g/mol
Exact Mass359.23
IUPAC Name9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(N2CCC3(CCC(=O)N(CC4CCCO4)C3)CC2)nc(N)n1
InChIInChI=1S/C19H29N5O2/c1-14-11-16(22-18(20)21-14)23-8-6-19(7-9-23)5-4-17(25)24(13-19)12-15-3-2-10-26-15/h11,15H,2-10,12-13H2,1H3,(H2,20,21,22)
InChIKeyMMEWVEYBORNZRW-UHFFFAOYSA-N
XLogP1.76
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-((4-methyl-6-(piperidin-1-yl)pyrimidin-2-yl)amino)ethyl)tetrahydrofuran-2-carboxamide
CID 49676090
2-(2-Hydroxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70732116
2-(3-Hydroxypropyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70733151
9-(2-Amino-6-methylpyrimidin-4-yl)-2-(cyclopropylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70756233
2-(2-Methoxyethyl)-9-(6-methyl-2-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70763270
9-[2-(Dimethylamino)-6-methylpyrimidin-4-yl]-2-(3-hydroxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70773058
2-[9-(6-Methyl-2-propylpyrimidin-4-yl)-3-oxo-2,9-diazaspiro[5.5]undec-2-yl]acetamide
CID 70783821
9-[2-(Dimethylamino)-6-methylpyrimidin-4-yl]-2-(2-hydroxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70784594
2-[6-Ethyl-2-(4-morpholinyl)-4-pyrimidinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72927903
1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 91809782
3-Cyclohexyl-1-{4-[4-methyl-6-(morpholin-4-yl)pyrimidin-2-yl]piperazin-1-yl}propan-1-one
CID 27477460
9-(2-Amino-4-pyrimidinyl)-2-(tetrahydro-2-furanylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72847167

Frequently Asked Questions

What is the IUPAC name of 9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72837358) is 9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is Cc1cc(N2CCC3(CCC(=O)N(CC4CCCO4)C3)CC2)nc(N)n1.
What is the InChIKey of 9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MMEWVEYBORNZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O2/c1-14-11-16(22-18(20)21-14)23-8-6-19(7-9-23)5-4-17(25)24(13-19)12-15-3-2-10-26-15/h11,15H,2-10,12-13H2,1H3,(H2,20,21,22).
What are the key properties of 9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 359.47 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-amino-6-methylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72837358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).